Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09e0e62b15b15ddc38231082e04995d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.50,
"b": 48.95,
"c": 61.25,
"alpha": 90.00,
"beta": 107.27,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.540,1.500],
"number_observations_unique": 49728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 4844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [37.540,5.810],
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}